# generated using pymatgen data_InW47S96 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 19.14455100 _cell_length_b 22.10622300 _cell_length_c 14.20054100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InW47S96 _chemical_formula_sum 'In1 W47 S96' _cell_volume 6009.86369232 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In1 1 -0.000000 0.749723 0.500000 1 W W2 1 0.087526 0.879429 0.500000 1 W W3 1 0.000000 0.497393 0.499999 1 W W4 1 0.085615 0.619538 0.500000 1 W W5 1 0.172927 0.751013 0.500000 1 W W6 1 0.252117 0.876373 0.500000 1 W W7 1 -0.000000 0.248956 0.500000 1 W W8 1 0.083605 0.373214 0.500000 1 W W9 1 0.166544 0.497846 0.500000 1 W W10 1 0.250130 0.624940 0.500000 1 W W11 1 0.334849 0.751297 0.500000 1 W W12 1 0.417591 0.876015 0.500000 1 W W13 1 -0.000000 0.000057 0.500000 1 W W14 1 0.083661 0.124768 0.500000 1 W W15 1 0.167005 0.249282 0.500000 1 W W16 1 0.250382 0.374013 0.500000 1 W W17 1 0.333433 0.499701 0.500000 1 W W18 1 0.416839 0.625244 0.500000 1 W W19 1 0.500000 0.750629 0.500000 1 W W20 1 0.582409 0.876015 0.500000 1 W W21 1 0.168747 0.000866 0.500000 1 W W22 1 0.250854 0.125514 0.500000 1 W W23 1 0.333763 0.249985 0.500000 1 W W24 1 0.416783 0.374974 0.500000 1 W W25 1 0.500000 0.500087 0.500000 1 W W26 1 0.583161 0.625244 0.500000 1 W W27 1 0.665151 0.751297 0.500000 1 W W28 1 0.747883 0.876373 0.500000 1 W W29 1 0.334489 0.001199 0.500000 1 W W30 1 0.417075 0.125669 0.500000 1 W W31 1 0.500000 0.250311 0.500000 1 W W32 1 0.583217 0.374974 0.500000 1 W W33 1 0.666567 0.499701 0.500000 1 W W34 1 0.749870 0.624940 0.500000 1 W W35 1 0.827073 0.751013 0.500000 1 W W36 1 0.912474 0.879429 0.500000 1 W W37 1 0.500000 0.000984 0.500000 1 W W38 1 0.582925 0.125669 0.500000 1 W W39 1 0.666237 0.249985 0.500000 1 W W40 1 0.749618 0.374013 0.500000 1 W W41 1 0.833456 0.497846 0.500000 1 W W42 1 0.914385 0.619538 0.500000 1 W W43 1 0.665511 0.001199 0.500000 1 W W44 1 0.749146 0.125514 0.500000 1 W W45 1 0.832995 0.249282 0.500000 1 W W46 1 0.916395 0.373214 0.500000 1 W W47 1 0.831253 0.000866 0.500000 1 W W48 1 0.916339 0.124768 0.500000 1 S S49 1 0.091232 0.795774 0.387593 1 S S50 1 0.169758 0.918802 0.388001 1 S S51 1 0.083802 0.538069 0.388151 1 S S52 1 0.166624 0.666675 0.390826 1 S S53 1 0.253318 0.793188 0.388065 1 S S54 1 0.334844 0.917949 0.389116 1 S S55 1 0.083465 0.290342 0.389120 1 S S56 1 0.166963 0.415004 0.389171 1 S S57 1 0.249959 0.541180 0.389625 1 S S58 1 0.333626 0.667048 0.389559 1 S S59 1 0.417526 0.792568 0.389031 1 S S60 1 0.500000 0.917804 0.388863 1 S S61 1 0.083826 0.041624 0.389484 1 S S62 1 0.166994 0.166298 0.389198 1 S S63 1 0.250310 0.291004 0.389150 1 S S64 1 0.333424 0.416428 0.389339 1 S S65 1 0.416625 0.541784 0.389473 1 S S66 1 0.500000 0.666984 0.389381 1 S S67 1 0.582474 0.792568 0.389031 1 S S68 1 0.665156 0.917949 0.389116 1 S S69 1 0.251258 0.042628 0.389003 1 S S70 1 0.333897 0.167054 0.389034 1 S S71 1 0.416826 0.291853 0.389153 1 S S72 1 0.500000 0.416784 0.389307 1 S S73 1 0.583375 0.541784 0.389473 1 S S74 1 0.666374 0.667048 0.389559 1 S S75 1 0.746682 0.793188 0.388065 1 S S76 1 0.830242 0.918802 0.388001 1 S S77 1 0.417227 0.042650 0.388911 1 S S78 1 0.500000 0.167269 0.389006 1 S S79 1 0.583174 0.291853 0.389153 1 S S80 1 0.666576 0.416428 0.389339 1 S S81 1 0.750041 0.541180 0.389625 1 S S82 1 0.833376 0.666675 0.390826 1 S S83 1 0.908768 0.795774 0.387593 1 S S84 1 0.000000 0.916627 0.390791 1 S S85 1 0.582773 0.042650 0.388911 1 S S86 1 0.666103 0.167054 0.389034 1 S S87 1 0.749690 0.291004 0.389150 1 S S88 1 0.833037 0.415004 0.389171 1 S S89 1 0.916198 0.538069 0.388151 1 S S90 1 0.000000 0.658413 0.387527 1 S S91 1 0.748742 0.042628 0.389003 1 S S92 1 0.833006 0.166298 0.389198 1 S S93 1 0.916535 0.290342 0.389120 1 S S94 1 -0.000000 0.414441 0.389261 1 S S95 1 0.916174 0.041624 0.389484 1 S S96 1 -0.000000 0.165897 0.389302 1 S S97 1 0.091232 0.795774 0.612407 1 S S98 1 0.169758 0.918802 0.611999 1 S S99 1 0.083802 0.538069 0.611849 1 S S100 1 0.166624 0.666675 0.609174 1 S S101 1 0.253318 0.793188 0.611935 1 S S102 1 0.334844 0.917949 0.610884 1 S S103 1 0.083465 0.290342 0.610880 1 S S104 1 0.166963 0.415004 0.610828 1 S S105 1 0.249959 0.541180 0.610375 1 S S106 1 0.333626 0.667048 0.610441 1 S S107 1 0.417526 0.792568 0.610969 1 S S108 1 0.500000 0.917804 0.611137 1 S S109 1 0.083826 0.041624 0.610516 1 S S110 1 0.166994 0.166298 0.610802 1 S S111 1 0.250310 0.291004 0.610850 1 S S112 1 0.333424 0.416428 0.610661 1 S S113 1 0.416625 0.541784 0.610527 1 S S114 1 0.500000 0.666984 0.610619 1 S S115 1 0.582474 0.792568 0.610969 1 S S116 1 0.665156 0.917949 0.610884 1 S S117 1 0.251258 0.042628 0.610997 1 S S118 1 0.333897 0.167054 0.610966 1 S S119 1 0.416826 0.291853 0.610847 1 S S120 1 0.500000 0.416784 0.610693 1 S S121 1 0.583375 0.541784 0.610527 1 S S122 1 0.666374 0.667048 0.610441 1 S S123 1 0.746682 0.793188 0.611935 1 S S124 1 0.830242 0.918802 0.611999 1 S S125 1 0.417227 0.042650 0.611089 1 S S126 1 0.500000 0.167269 0.610994 1 S S127 1 0.583174 0.291853 0.610847 1 S S128 1 0.666576 0.416428 0.610661 1 S S129 1 0.750041 0.541180 0.610375 1 S S130 1 0.833376 0.666675 0.609173 1 S S131 1 0.908768 0.795774 0.612407 1 S S132 1 -0.000000 0.916627 0.609208 1 S S133 1 0.582773 0.042650 0.611089 1 S S134 1 0.666103 0.167054 0.610966 1 S S135 1 0.749690 0.291004 0.610850 1 S S136 1 0.833037 0.415004 0.610829 1 S S137 1 0.916198 0.538069 0.611849 1 S S138 1 0.000000 0.658413 0.612473 1 S S139 1 0.748742 0.042628 0.610997 1 S S140 1 0.833006 0.166298 0.610802 1 S S141 1 0.916535 0.290342 0.610880 1 S S142 1 0.000000 0.414441 0.610737 1 S S143 1 0.916174 0.041624 0.610516 1 S S144 1 -0.000000 0.165897 0.610697 1